Results 111 to 120 of about 166,145,672 (253)

Quantum‐Trained AI Enables Inverse Design of Organic Frontier Orbitals at Billion‐Scale

Advanced Science, EarlyView.
Quantum‐trained AI links molecular substructures to frontier‐orbital energetics and enables interpretable screening across nearly one billion GDB‐13 molecules. By combining fragment‐ and ring‐level insights with donor–acceptor energy alignment against ITIC, the framework narrows an immense chemical space to a small set of promising candidates and ...
Yeongnam Ko, Se Jin Kim, Ki Chul Kim
wiley   +1 more source

Scaling laws for ring-shaped beam profiles in laser-based powder bed fusion of metals

Advances in Industrial and Manufacturing Engineering
The application of alternative beam shapes is a current research trend to stabilize and accelerate the laser-based powder bed fusion of metals process. Although many publications show a reduced process dynamic and an enlargement of the process window for
Jonas Grünewald, Moritz Wittemer, Katrin Wudy   +2 more
doaj   +1 more source

Adaptive Conductive Systems: Enabling Deformable Electronics Through Engineered Materials, Circuits, and Intelligent Systems

Advanced Science, EarlyView.
This review presents the research advances of adaptive conductive systems from the perspective of materials, circuits, systems, and applications. Deformable conductors consist of substrates/matrices and conductive materials, structural design of circuit interconnections, fabrication of circuit interconnections, as well as intelligent systems ...
Yufei Lu, Siyu Liang, Jingyi Niu, Jie Chen, Shuo Zhang, Hongjian Zhang, Dongsheng Jia, Wei Huang   +7 more
wiley   +1 more source

Sn‐Driven Grain Boundary Elimination for Single‐Crystalline Ni‐Rich Cathodes with Superior High‐Voltage Stability in Lithium‐Ion Batteries

Advanced Science, EarlyView.
A low‐temperature synthesis method of single‐crystalline NCA was successfully achieved by Sn doping, employing the same synthetic conditions as its polycrystalline counterparts. This synthesis was conducted at a temperature that was 150 °C lower than that required for synthesizing single‐crystalline NCA without Sn doping.
Guomeng Xie, Delai Qian, Ruiwu Li, Terence Xiaoteng Liu, Shun Lu   +4 more
wiley   +1 more source

Report by the Joint-Core Team for the Establishment of Technology Bases Required for the Development of a Fusion DEMO Reactor [PDF]

, 2014
In accordance with the request of the Working Group on Fusion Research, the Nuclear Science and Technology Committee, the Subdivision on R&D Planning and Evaluation, the Council for Science and Technology, the Ministry of Education, Culture, Sports ...
OKANO, Kunihiko, TANAKA, Teruya, OZAKI, Akira, TANIGAWA, Hisashi, TOBITA, Kenji, YAMADA, Hiroshi, KASADA, Ryuta, TAKENAGA, Hidenobu, SAKAMOTO, Ryuichi, USHIGUSA, Kenkichi, KANEKO, Osamu, SAKAMOTO, Yoshiteru   +11 more
core  

Caging Polyhalide Anions in Polycyclodextrin for Long‐Lasting Aqueous Zinc‐Iodine Batteries

Angewandte Chemie, EarlyView.
We demonstrated poly(β‐cyclodextrin) gel as an ideal host material that effectively contains and releases polyhalide anions in aqueous zinc‐iodine batteries. Such a unique host‐guest chemistry prevents the shuttle effect of polyhalides. The corresponding batteries can operate via both 2e and 4e storage, attaining 60,000 cycles with more than 99% and 85%
Shangxu Jiang, Zhipeng Pei, Yanlin Shi, Kai Zhang, Justin M. Chalker, Sara J. Fraser‐Miller, Michelle L. Coote, Zhongfan Jia   +7 more
wiley   +2 more sources

THERMODYNAMICS OF THE MIXING PROCESS OF SEVERAL SODIUM SULFONAMIDES IN ETHANOL + WATER COSOLVENT MIXTURES ESTUDIO TERMODINÁMICO DEL PROCESO DE MEZCLA DE ALGUNAS SULFONAMIDAS SÓDICAS EN MEZCLAS COSOLVENTES ETANOL + AGUA

Vitae, 2011
Sodium sulfonamides have been extensively used for the treatment of certain infections caused by several types of microorganisms. Although sulfonamides are still widely used in therapeutics, the physicochemical information about their aqueous solutions ...
Daniel R DELGADO, Edgar F VARGAS, Fleming MARTÍNEZ   +2 more
doaj  

Artificial Intelligence for Fluorite Ferroelectric Materials: From Discovery to Optimization

Advanced Electronic Materials, EarlyView.
Artificial intelligence accelerates the discovery and optimization of HfO2‐based fluorite ferroelectrics by linking synthesis, structure, properties, and device performance. Machine learning, deep‐learning analysis, and AI‐driven atomistic modeling enable predictive design, dopant screening, and closed‐loop optimization toward next‐generation ...
Faizan Ali, David Lehninger, Florencio Sánchez, Ignasi Fina   +3 more
wiley   +1 more source

High‐Tg Polythioesters From Isomerization Ring‐Opening Polymerization of a Renewable Oxanorbornane‐Fused Thionolactone

Angewandte Chemie, EarlyView.
A biobased tricyclic thionolactone undergoes selective isomerization ring‐opening polymerization to yield a high‐molecular‐weight polythioester with an exceptionally high Tg of 171°C, exceeding that of the analogous polyester. The polythioester efficiently depolymerizes through backbiting, while its hydrolysis and methanolysis reveal the critical ...
Eva Harsevoort, Henk‐Jan Akkerman, Martin Lutz, Arnaud Thevenon, Pieter C. A. Bruijnincx   +4 more
wiley   +2 more sources

Safety of Sodium‐Ion Batteries: Evaluation and Perspective from Component Materials to Cells, Modules, and Packs

Advanced Energy Materials, EarlyView.
This review provides a bottom‐up evaluation of sodium‐ion battery safety, linking material degradation mechanisms, cell engineering parameters, and module/pack assembly. It emphasizes that understanding intrinsic material stability and establishing coordinated engineering control across hierarchical levels are vital for preventing degradation coupling ...
Won‐Gwang Lim, Seoa Kim, Erik A. Wu, Darren H. S. Tan, Shawn Peng, Xiaolin Li   +5 more
wiley   +1 more source